4-fluoro-2-methyl-N-(thian-4-ylmethyl)benzamide

C14H18FNOS — CID 115745605

IUPAC4-fluoro-2-methyl-N-(thian-4-ylmethyl)benzamide
SMILESCc1cc(F)ccc1C(=O)NCC1CCSCC1
InChIInChI=1S/C14H18FNOS/c1-10-8-12(15)2-3-13(10)14(17)16-9-11-4-6-18-7-5-11/h2-3,8,11H,4-7,9H2,1H3,(H,16,17)
InChIKeyQLFJVEJEZYEORC-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.01
Rot. Bonds3

About 4-fluoro-2-methyl-N-(thian-4-ylmethyl)benzamide

4-fluoro-2-methyl-N-(thian-4-ylmethyl)benzamide (PubChem CID 115745605) has the molecular formula C14H18FNOS and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(thian-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(thian-4-ylmethyl)benzamide
PubChem CID115745605
Molecular FormulaC14H18FNOS
Molecular Weight267.37 g/mol
Exact Mass267.11
IUPAC Name4-fluoro-2-methyl-N-(thian-4-ylmethyl)benzamide
SMILESCc1cc(F)ccc1C(=O)NCC1CCSCC1
InChIInChI=1S/C14H18FNOS/c1-10-8-12(15)2-3-13(10)14(17)16-9-11-4-6-18-7-5-11/h2-3,8,11H,4-7,9H2,1H3,(H,16,17)
InChIKeyQLFJVEJEZYEORC-UHFFFAOYSA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 115745696
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzamide
CID 112702559
N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2-methylbenzamide
CID 103820451
3-fluoro-N-(thian-4-ylmethyl)pyridine-4-carboxamide
CID 115646155
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-methylbenzamide
CID 112702550
2,3,5,6-tetrafluoro-N-(thian-4-ylmethyl)benzamide
CID 75376476
4-chloro-N-[(4-chlorocyclohexyl)methyl]-2-methylbenzamide
CID 106134057
2-bromo-N-(thian-4-ylmethyl)benzamide
CID 115625164
2-bromo-4-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106123468
5-bromo-2-hydroxy-N-(thian-4-ylmethyl)benzamide
CID 113235380
N-[(4-fluoro-2-methylphenyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295164
N-(4-ethylcyclohexyl)-4-fluoro-2-methylbenzamide
CID 112702388

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(thian-4-ylmethyl)benzamide?
The IUPAC name of 4-fluoro-2-methyl-N-(thian-4-ylmethyl)benzamide (CID 115745605) is 4-fluoro-2-methyl-N-(thian-4-ylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(thian-4-ylmethyl)benzamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(thian-4-ylmethyl)benzamide is Cc1cc(F)ccc1C(=O)NCC1CCSCC1.
What is the InChIKey of 4-fluoro-2-methyl-N-(thian-4-ylmethyl)benzamide?
The InChIKey is QLFJVEJEZYEORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNOS/c1-10-8-12(15)2-3-13(10)14(17)16-9-11-4-6-18-7-5-11/h2-3,8,11H,4-7,9H2,1H3,(H,16,17).
What are the key properties of 4-fluoro-2-methyl-N-(thian-4-ylmethyl)benzamide?
4-fluoro-2-methyl-N-(thian-4-ylmethyl)benzamide has a molecular weight of 267.37 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(thian-4-ylmethyl)benzamide is sourced from PubChem (CID 115745605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).